UCSF

ZINC31961458

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.47 0.76 -55.24 5 6 1 95 258.305 5
Mid Mid (pH 6-8) -0.47 0.36 -14 4 6 0 93 257.297 5
Mid Mid (pH 6-8) -0.47 1.22 -103.36 6 6 2 96 259.313 5
Lo Low (pH 4.5-6) -0.47 1.66 -160.31 7 6 3 97 260.321 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )